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CHEBI:32918 - 1-naphthaleneacetic acid

ChEBI IDCHEBI:32918
ChEBI Name1-naphthaleneacetic acid
Stars
DefinitionA naphthylacetic acid substituted by a carboxymethyl group at position 1.
Secondary ChEBI IDsCHEBI:25473, CHEBI:31044, CHEBI:44550
Last Modified3 August 2020
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC12H10O2
Net Charge0
Average Mass186.210
Monoisotopic Mass186.06808
SMILESO=C(O)Cc1cccc2ccccc12
InChIInChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
InChIKeyPRPINYUDVPFIRX-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
synthetic auxin  A synthetic compound exhibiting auxin activity.
ChEBI Ontology
Outgoing Relation(s)
1-naphthaleneacetic acid (CHEBI:32918) has role synthetic auxin (CHEBI:26841)
1-naphthaleneacetic acid (CHEBI:32918) is a naphthylacetic acid (CHEBI:35629)
1-naphthaleneacetic acid (CHEBI:32918) is conjugate acid of 1-naphthaleneacetate (CHEBI:156230)
Incoming Relation(s)
1-naphthaleneacetate (CHEBI:156230) is conjugate base of 1-naphthaleneacetic acid (CHEBI:32918)
IUPAC Name 
naphthalen-1-ylacetic acid
Synonyms  Source
1-Naphthylacetic acidKEGG COMPOUND
1-naphthaleneacetic acidNIST Chemistry WebBook
α-naphthaleneacetic acidNIST Chemistry WebBook
NAPHTHALEN-1-YL-ACETIC ACIDPDBeChem
naphthalene-1-acetic acidNIST Chemistry WebBook
NAAChemIDplus
Manual XrefsDatabases
C13014KEGG COMPOUND
NLAPDBeChem
DB01750DrugBank
1-Naphthaleneacetic_acidWikipedia
D01558KEGG DRUG
1330PPDB
1330BPDB
Registry NumbersSources
Gmelin:2062516Gmelin
Reaxys:1308415Reaxys
CAS:86-87-3KEGG COMPOUND
CAS:86-87-3ChemIDplus
CAS:86-87-3NIST Chemistry WebBook
Citations